N-(4-butylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-butylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-butylphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H20N4OS2 MolecularWeight: 372.5076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C18H20N4OS2/c1-2-3-5-13-7-9-14(10-8-13)19-16(23)12-25-18-20-17(21-22-18)15-6-4-11-24-15/h4,6-11H,2-3,5,12H2,1H3,(H,19,23)(H,20,21,22)